Geometry & MOs

Info

ID:

440594

PubChem CID:

135230591

Reduced:

FO5N8C32H35 (1)

Stoich.:

AB5C8D32E35 (1)

Weight, g/mol:

572.272273

ΔHf, kcal/mol:

-66.31

Dipole, Da:

9.1

IP(EA), eV:

 -9.2(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-fluoroethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-[(1-methylpiperidin-4-yl)methoxy]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC(=C(N=C2)C(=O)NC3CC3)OC)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations